4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide

C24H26N4O2 — CID 131947036

IUPAC4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC34CC5CC(C3)CC(n3cncn3)(C5)C4)cc2)o1
InChIInChI=1S/C24H26N4O2/c1-16-2-7-21(30-16)19-3-5-20(6-4-19)22(29)27-23-9-17-8-18(10-23)12-24(11-17,13-23)28-15-25-14-26-28/h2-7,14-15,17-18H,8-13H2,1H3,(H,27,29)
InChIKeyLXFKNBWBSLJKRI-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.32
Rot. Bonds4

About 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide

4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide (PubChem CID 131947036) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide
PubChem CID131947036
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC34CC5CC(C3)CC(n3cncn3)(C5)C4)cc2)o1
InChIInChI=1S/C24H26N4O2/c1-16-2-7-21(30-16)19-3-5-20(6-4-19)22(29)27-23-9-17-8-18(10-23)12-24(11-17,13-23)28-15-25-14-26-28/h2-7,14-15,17-18H,8-13H2,1H3,(H,27,29)
InChIKeyLXFKNBWBSLJKRI-UHFFFAOYSA-N
XLogP4.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(5S,7S)-3-(1,2,4-triazol-1-yl)-1-adamantyl]urea
CID 98318877
4-(aminomethyl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]benzamide
CID 122566237
4-[(5-methyltetrazol-1-yl)methyl]-N-[3-(tetrazol-2-yl)-1-adamantyl]benzamide
CID 131931453
1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
CID 44633202
N-(2-ethylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 19579722
(5S,7R)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 156599934
methyl 3-[[(5S,7R)-3-(1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate
CID 1017842
4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 91793399
(5S,7R)-N-[(2R)-butan-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 40554294
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide?
The IUPAC name of 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide (CID 131947036) is 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide?
The canonical SMILES for 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide is Cc1ccc(-c2ccc(C(=O)NC34CC5CC(C3)CC(n3cncn3)(C5)C4)cc2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide?
The InChIKey is LXFKNBWBSLJKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-2-7-21(30-16)19-3-5-20(6-4-19)22(29)27-23-9-17-8-18(10-23)12-24(11-17,13-23)28-15-25-14-26-28/h2-7,14-15,17-18H,8-13H2,1H3,(H,27,29).
What are the key properties of 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide?
4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide is sourced from PubChem (CID 131947036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).